Basic Searches
Searches without any special characters (listed below) will return items that contain the exact value(s) entered in the search field. This means that searching for "ASPIRIN CALCIUM" won't return any items that have "ASPIRIN GLYCINE CALCIUM" because the search term doesn't match exactly.
Boolean Operators
OR - searches with terms separated by " OR " will return items that contain any of the terms in the search.
Example: "ASPIRIN" OR "CALCIUM" will return items that have strings like "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because they contain at least one of the terms in the search.

AND - searches with terms separated by " AND " will return items that contain all the terms in the search.
Example: "ASPIRIN" AND "CALCIUM" won't return items that have strings "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because neither contain both terms, but it will return "ASPIRIN GLYCINE CALCIUM" because it contains both search terms.
version 2.7.1
Substance Class Chemical
Record UNII
L5YAA08T2B
Record Status Validated
Record Version
Show Definitional References Hide Definitional References
Download

Details

Stereochemistry RACEMIC
Molecular Formula C11H17NO
Molecular Weight 179.2588
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0
Created by admin on Wed Aug 04 19:01:27 EDT 2021
Edited by admin on Wed Aug 04 19:01:27 EDT 2021
Structure of 4-METHYLRACEPHEDRINE

Systematic Names:

  • None recorded

SMILES

CN[C@H](C)[C@@H](O)C1=CC=C(C)C=C1

InChI

DUESQFQLBNOCIT-MWLCHTKSSA-N
InChI=1S/C11H17NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,11-13H,1-3H3/t9-,11-/m1/s1
Name Type Language Details Access References
4-METHYLRACEPHEDRINE
Common Name
English  
J2.530.683J
Code
English  
DL-EPHEDRINE, P-METHYL-
Common Name
English  
DIHYDRO-MEPHEDRONE
Common Name
English  
BENZYL ALCOHOL, P-METHYL-.ALPHA.-(1-(METHYLAMINO)ETHYL)-
Systematic Name
English  
BENZENEMETHANOL, 4-METHYL-.ALPHA.-(1-(METHYLAMINO)ETHYL)-
Systematic Name
English  
BENZENEMETHANOL, 4-METHYL-.ALPHA.-((1R)-1-(METHYLAMINO)ETHYL)-, (.ALPHA.S)-REL-
Systematic Name
English  
1-(4-METHYLPHENYL)-2-(METHYLAMINO)-1-PROPANOL
Systematic Name
English  
Code System Code Type Description Access References
CAS
27465-54-9
Created by admin on Wed Aug 04 19:01:27 EDT 2021 , Edited by admin on Wed Aug 04 19:01:27 EDT 2021
NON-SPECIFIC STEREOCHEMISTRY
CAS
122272-56-4
Created by admin on Wed Aug 04 19:01:27 EDT 2021 , Edited by admin on Wed Aug 04 19:01:27 EDT 2021
PRIMARY
FDA UNII
L5YAA08T2B
Created by admin on Wed Aug 04 19:01:27 EDT 2021 , Edited by admin on Wed Aug 04 19:01:27 EDT 2021
PRIMARY
PUBCHEM
95435678
Created by admin on Wed Aug 04 19:01:27 EDT 2021 , Edited by admin on Wed Aug 04 19:01:27 EDT 2021
PRIMARY
Related Record Type Details Access References
PARENT -> METABOLITE
Mediator Substance Details
none
IN-VIVO
URINE
Created by admin on Wed Aug 04 19:01:27 EDT 2021 , Edited by admin on Wed Aug 04 19:01:27 EDT 2021
Created Wed Aug 04 19:01:27 EDT 2021
Created By admin
Last Edited Wed Aug 04 19:01:27 EDT 2021
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File Access
1 http://nikkajiweb.jst.go.jp/nikkaji_web/pages/top_e.jsp?CONTENT=syosai&SN=J2.530.683J SRS NOMEN
2 STN STN (SCIFINDER)
3 SRS import [L5YAA08T2B] SRS NOMEN Fri Apr 28 15:24:05 EDT 2017
4 http://onlinelibrary.wiley.com/doi/10.1002/dta.1369/abstract SRS NOMEN
5 SciFinder SRS NOMEN
6 FDA_SRS SRS NOMEN PUBLIC_DOMAIN_RELEASE AUTO_SELECTED
7 STN STN (SCIFINDER)
8 J ANAL TOXICOL, 233, 38-41 (2014) JOURNAL ARTICLE NOMEN
9 SRS CODE IMPORT SRS NOMEN Fri Apr 28 15:24:05 EDT 2017
10 dump-public-2021-07-22_UPDATED.gsrs BATCH_IMPORT Wed Aug 04 19:01:25 EDT 2021
11 STN SRS NOMEN
12 Generated from relationship on:'MEPHEDRONE' SYSTEM
13 PUBCHEM PUBCHEM

Molecular Formula C11H17NO
Molecular Weight 179.2588
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED